Crystallography Open Database

Information card for entry 7704224

Preview

Coordinates	7704224.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(MeClamp)Os
Chemical name	[Tris(2-(3',5'-di-tert-butyl-2'-oxyphenyl)amido-4- methylphenyl)amine]osmium(VI)
Formula	C63 H78 N4 O3 Os
Calculated formula	C63 H78 N4 O3 Os
SMILES	[Os]123456Oc7c(N3c3c([N]6(c6c(N4c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)cc(cc6)C)c1c(N5c4c(O2)c(cc(c4)C(C)(C)C)C(C)(C)C)cc(cc1)C)ccc(c3)C)cc(cc7C(C)(C)C)C(C)(C)C
Title of publication	Highly covalent metal-ligand π bonding in chelated bis- and tris(iminoxolene) complexes of osmium and ruthenium.
Authors of publication	Gianino, Jacqueline; Brown, Seth N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	7015 - 7027
a	12.2048 ± 0.0011 Å
b	28.05 ± 0.003 Å
c	17.3586 ± 0.0016 Å
α	90°
β	92.9257 ± 0.0013°
γ	90°
Cell volume	5934.9 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252835 (current)	2020-06-05	cif/ Updating files of 7704222, 7704223, 7704224, 7704225 Original log message: Adding full bibliography for 7704222--7704225.cif.	7704224.cif
251297	2020-04-30	cif/ Adding structures of 7704222, 7704223, 7704224, 7704225 via cif-deposit CGI script.	7704224.cif